Geometry & MOs

Info

ID:	404959
PubChem CID:	135071963
Reduced:	SN2O2C15H16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	282.134383
ΔH_f, kcal/mol:	-6.15
Dipole, Da:	8.43
IP(EA), eV:	-9.23(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hept-2-ynyl-N-[(E)-2,2,2-trifluoroethylideneamino]aniline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N=NC2=CC(=C(C=C2)C)C

DOS

IR

Vibrations